3-[2-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide

C26H27N5O2 — CID 67983638

IUPAC3-[2-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccc3nc(-c4ccc(C)c(NC(=O)C(C)(C)C)c4)cn3n2)c1
InChIInChI=1S/C26H27N5O2/c1-16-9-10-18(14-21(16)29-25(33)26(2,3)4)22-15-31-23(28-22)12-11-20(30-31)17-7-6-8-19(13-17)24(32)27-5/h6-15H,1-5H3,(H,27,32)(H,29,33)
InChIKeyWCKWHIGOULQDAN-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.72
Rot. Bonds4

About 3-[2-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide

3-[2-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide (PubChem CID 67983638) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 3-[2-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide
PubChem CID67983638
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name3-[2-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccc3nc(-c4ccc(C)c(NC(=O)C(C)(C)C)c4)cn3n2)c1
InChIInChI=1S/C26H27N5O2/c1-16-9-10-18(14-21(16)29-25(33)26(2,3)4)22-15-31-23(28-22)12-11-20(30-31)17-7-6-8-19(13-17)24(32)27-5/h6-15H,1-5H3,(H,27,32)(H,29,33)
InChIKeyWCKWHIGOULQDAN-UHFFFAOYSA-N
XLogP4.72
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide?
The IUPAC name of 3-[2-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide (CID 67983638) is 3-[2-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[2-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide?
The canonical SMILES for 3-[2-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide is CNC(=O)c1cccc(-c2ccc3nc(-c4ccc(C)c(NC(=O)C(C)(C)C)c4)cn3n2)c1.
What is the InChIKey of 3-[2-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide?
The InChIKey is WCKWHIGOULQDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-16-9-10-18(14-21(16)29-25(33)26(2,3)4)22-15-31-23(28-22)12-11-20(30-31)17-7-6-8-19(13-17)24(32)27-5/h6-15H,1-5H3,(H,27,32)(H,29,33).
What are the key properties of 3-[2-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide?
3-[2-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide has a molecular weight of 441.54 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide is sourced from PubChem (CID 67983638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).